Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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TERBIUM
1, at 20'C
Tb
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
9 .7 .1992
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 1, 9-11
R: ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.601 alpha = 90.0
b = 3.601 beta = 90.0
c = 5.6936 gamma = 120.0
Unit cell volume (cub. angs.) = 63.94
Molar volume ( cub.cm/mol.) = 19.26
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.25 0.0 Tb = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.25
2 1 0.6667 0.3333 0.75
X-ray density (g/cm cub.) = 8.25
MU (1/cm) = 2656.363 Mass attenuation coefficient (cm**2/g) = 321.9
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Tb 4.248 12
3.601 1
3.601 1
3.601 1
3.601 1
3.601 1
3.601 1
3.5251 1
3.5251 1
3.5252 1
3.5252 1
3.5251 1
3.5251 1
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 14.3 28.6 0.16 29.95 6 47.2 9812.8
2 0 0 2 15.699 31.397 0.176 24.53 2 92.5 10257.3
3 1 0 1 16.357 32.714 0.183 22.44 12 79.2 41368.5
4 1 0 2 21.491 42.983 0.238 12.29 12 42.0 6371.7
5 1 1 0 25.329 50.658 0.278 8.47 6 78.6 7692.7
6 1 0 3 28.367 56.734 0.308 6.55 12 64.6 8026.5
7 2 0 0 29.604 59.207 0.321 5.95 6 36.5 1164.7
8 1 1 2 30.411 60.822 0.329 5.6 12 72.1 8534.7
9 2 0 1 30.81 61.619 0.332 5.44 12 62.0 6134.9
10 0 0 4 32.762 65.525 0.351 4.76 2 69.3 1117.1
11 2 0 2 34.281 68.561 0.366 4.32 12 33.8 1449.7
12 1 0 4 36.503 73.005 0.386 3.82 12 32.6 1192.1
13 2 0 3 39.743 79.486 0.415 3.29 12 53.8 2793.3
14 2 1 0 40.806 81.612 0.424 3.16 12 30.6 867.6
15 2 1 1 41.863 83.726 0.433 3.05 24 52.2 4878.0
16 1 1 4 43.617 87.234 0.448 2.91 12 58.8 2953.9
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 0 14.3 28.6 3.11856 9812.8 23.7 23.8 5.6
2 0 0 2 15.699 31.397 2.8468 10257.3 24.8 24.8 5.6
3 1 0 1 16.357 32.714 2.73515 41368.5 100.0 100.0 5.6
4 1 0 2 21.491 42.983 2.10251 6371.7 15.4 15.3 5.7
5 1 1 0 25.329 50.658 1.8005 7692.7 18.6 18.3 5.8
6 1 0 3 28.367 56.734 1.62124 8026.5 19.4 18.9 5.8
7 2 0 0 29.604 59.207 1.55928 1164.7 2.8 2.7 5.8
8 1 1 2 30.411 60.822 1.52169 8534.7 20.6 20.0 5.8
9 2 0 1 30.81 61.619 1.5039 6134.9 14.8 14.3 5.8
10 0 0 4 32.762 65.525 1.4234 1117.1 2.7 2.6 5.9
11 2 0 2 34.281 68.561 1.36757 1449.7 3.5 3.4 5.9
12 1 0 4 36.503 73.005 1.2949 1192.1 2.9 2.7 6.0
13 2 0 3 39.743 79.486 1.2048 2793.3 6.8 6.3 6.0
14 2 1 0 40.806 81.612 1.1787 867.6 2.1 2.0 6.1
15 2 1 1 41.863 83.726 1.15423 4878.0 11.8 10.9 6.1
16 1 1 4 43.617 87.234 1.11661 2953.9 7.1 6.6 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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